(2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine

C17H24N2O2 — CID 135058726

IUPAC(2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine
SMILESCC[C@H](NN1CCC[C@H]1COC)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O2/c1-3-15(18-19-10-6-8-14(19)12-20-2)17-11-13-7-4-5-9-16(13)21-17/h4-5,7,9,11,14-15,18H,3,6,8,10,12H2,1-2H3/t14-,15-/m0/s1
InChIKeyPZJWLEBWAPOLDH-GJZGRUSLSA-N
MW288.39 g/mol
LogP3.50
Rot. Bonds6

About (2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine

(2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine (PubChem CID 135058726) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine
PubChem CID135058726
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine
SMILESCC[C@H](NN1CCC[C@H]1COC)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O2/c1-3-15(18-19-10-6-8-14(19)12-20-2)17-11-13-7-4-5-9-16(13)21-17/h4-5,7,9,11,14-15,18H,3,6,8,10,12H2,1-2H3/t14-,15-/m0/s1
InChIKeyPZJWLEBWAPOLDH-GJZGRUSLSA-N
XLogP3.50
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine?
The IUPAC name of (2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine (CID 135058726) is (2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine.
What is the SMILES notation for (2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine?
The canonical SMILES for (2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine is CC[C@H](NN1CCC[C@H]1COC)c1cc2ccccc2o1.
What is the InChIKey of (2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine?
The InChIKey is PZJWLEBWAPOLDH-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-15(18-19-10-6-8-14(19)12-20-2)17-11-13-7-4-5-9-16(13)21-17/h4-5,7,9,11,14-15,18H,3,6,8,10,12H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine?
(2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine has a molecular weight of 288.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(1-benzofuran-2-yl)propyl]-2-(methoxymethyl)pyrrolidin-1-amine is sourced from PubChem (CID 135058726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).